3RNF
Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/V271A Double Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-12-05 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 183.340, 183.340, 68.370 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.835 - 2.200 |
| R-factor | 0.15597 |
| Rwork | 0.154 |
| R-free | 0.20040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2inc |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.816 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.835 | 2.290 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 66756 | |
| <I/σ(I)> | 16.4 | 6.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 100 mM HEPES, 2.1 mM ammonium sulfate, 2% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
